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Off-diagonal coupling constants (Hrp) obtained for the transition state geometries in the gas phase (red and black) and in solution (blue and yellow). The results are shown for two series of SN2 reactions defining two LFERs: X−+ CH3Cl → XCH3 + Cl− and X−+ CH2FCl → XCH2 + Cl− with the X groups as specified on the x-axis and in the text.
